3,3'-Difluorobenzophenone

Base Information

• Chemical Name: 3,3'-Difluorobenzophenone
• CAS No.: 345-70-0
• Molecular Formula: C13H8 F2 O
• Molecular Weight: 218.203
• Hs Code.: 2914700090
• European Community (EC) Number: 624-197-3
• DSSTox Substance ID: DTXSID10342185
• Nikkaji Number: J309.036A
• Wikidata: Q72462567
• Mol file: 345-70-0.mol

Synonyms:3,3'-Difluorobenzophenone;345-70-0;Bis(3-fluorophenyl)methanone;Methanone, bis(3-fluorophenyl)-;3,3?-Difluorobenzophenone;3,3'-difluoro-benzophenone;ANILINEHYDROGENPHTHALATE;SCHEMBL1258944;Bis(3-fluorophenyl)methanone #;bis-(3-fluoro-phenyl)-methanone;DTXSID10342185;3,3'-Difluorobenzophenone, 99%;CL8647;MFCD00000337;AKOS009157039;AM61471;CS-W014800;AS-46064;FT-0614054;A874940;J-019651

Chemical Property of 3,3'-Difluorobenzophenone

Chemical Property:

• Melting Point: 59-61 °C(lit.)
• Boiling Point: 316.2°Cat760mmHg
• Flash Point: 121.3°C
• PSA: 17.07000
• Density: 1.239g/cm³
• LogP: 3.19580
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 218.05432120
• Heavy Atom Count: 16
• Complexity: 230

Purity/Quality:

99% ^*data from raw suppliers

3,3''-Difluorobenzophenone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)F)C(=O)C2=CC(=CC=C2)F
• Uses: 3,3′-Difluorobenzophenone may be used in chemical synthesis.

Technology Process of 3,3'-Difluorobenzophenone

There total 13 articles about 3,3'-Difluorobenzophenone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 88.0%

carbon monoxide (201230-82-2) + potassium (3-fluorophenyl)trifluoroborate → 3,3'-difluorobenzophenone (345-70-0)

Guidance literature:

With iodine; palladium diacetate; potassium hydrogencarbonate; at 80 ℃; for 23h; under 760.051 Torr;

DOI:10.1002/ejoc.201600689

Reference yield: 87.3%

3-fluoro-N-methoxy-N-methylbenzamide (226260-01-1) + 3-fluorobromobenzene (1073-06-9) → 3,3'-difluorobenzophenone (345-70-0)

Guidance literature:

3-fluorobromobenzene; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 1h; Inert atmosphere;

3-fluoro-N-methoxy-N-methylbenzamide; In tetrahydrofuran; at 20 ℃; for 16h;

Reference yield: 87.0%

bis(3-fluorophenyl)methanol (98586-21-1) → 3,3'-difluorobenzophenone (345-70-0)

Guidance literature:

bis(3-fluorophenyl)methanol; With dimethyl sulfoxide; trifluoroacetic anhydride; In dichloromethane; at -78 ℃; for 0.5h;

With triethylamine; In dichloromethane; at -78 - 20 ℃; for 1h;

DOI:10.1016/j.tetlet.2018.03.090

upstream raw materials:

3-fluorobenzoyl chloride

benzophenone

bis(3-fluorophenyl)methanol

3-fluorophenyllithium

Downstream raw materials:

3,3-bis-(3-fluoro-phenyl)-oxirane-2-carboxylic acid ethyl ester

3,3-bis-(3-fluoro-phenyl)-propionitrile

3,3-bis(3-fluorophenyl)propionaldehyde

[3,3-Bis-(3-fluoro-phenyl)-prop-(E)-ylidene]-((S)-2-methoxymethyl-pyrrolidin-1-yl)-amine

Refernces

• 1、 Hurst, Timothy E.,Deichert, Julie A.,Kapeniak, Lucas,Lee, Roland,Harris, Jesse,Jessop, Philip G.,Snieckus, Victor. "Sodium Methyl Carbonate as an Effective C1 Synthon. Synthesis of Carboxylic Acids, Benzophenones, and Unsymmetrical Ketones". supporting information. p. 3882 - 3885. Retrieved 2019/06/07.
• 2、 -. "AZA-PYRIDONE COMPOUNDS AND USES THEREOF". . . Retrieved 2016/09/26.